SCHEMBL1180922

SCHEMBL1180922

COc1ccc(NC(=S)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 1.00
RAB9A P51151 10/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
MAPT P10636 5/20 0.87
CYP1A2 P05177 2/20 0.87
CYP2C19 P33261 2/20 0.87
CYP3A4 P08684 1/20 0.87
CYP2C9 P11712 1/20 0.87
ALDH1A1 P00352 5/20 0.73
HPGD P15428 4/20 0.73
TDP1 Q9NUW8 2/20 0.71
LMNA P02545 1/20 0.71
GAA P10253 3/20 0.67
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HTT P42858 2/20 0.63
MAOB P27338 2/20 0.56
APOBEC3G Q9HC16 1/20 0.56
MAOA P21397 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28471116 0.93 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL10624822 0.91 NPC1 (0.86) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL5426217 0.83 RAB9A (0.73) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL11920080 0.83 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL1259295 0.81 CYP1A2 (1.00) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL28466686 0.81 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL6577711 0.81 RAB9A (0.69) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL557621 0.80 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL19357106 0.80 RAB9A (0.67) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL10625136 0.80 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2MAPTCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111793040-B Preparation method of 2-substituted benzothiazole 太原理工大学 2023-01-03 CN disclosed
CN-111793040-A Preparation method of 2-substituted benzothiazole 太原理工大学 2020-10-20 CN disclosed
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES UNIVERSITAT DES SAARLANDES (DE) 2011-02-24 US disclosed
EP-2190421-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2010-06-02 EP disclosed
WO-2009027346-A2 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-03-05 WO disclosed
EP-1583762-B1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-09 EP disclosed
US-7135488-B2 Pyrrolyl-thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1583762-A1 PYRROLYL-THIAZOLES AND THEIR USE AS CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives HOFFMAN-LA ROCHE INC. 2004-07-29 US disclosed
WO-2004060888-A1 NOVEL CB 1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
CN-1054803-C Polycarbonic acid ester resin layered products absorbing near-infrared and formed products made of same DAICEL CHEM (JP) 2000-07-26 CN disclosed
CN-1094354-A Polycarbonate-based resin laminate of absorption near infrared ray and formed body thereof DAICEL CHEM (JP) 1994-11-02 CN disclosed
US-4500623-A Photoconductive compositions comprising an organic photoconductor and a thioamide compound and electrophotographic light-sensitive materials using the compositions FUJI PHOTO FILM CO., LTD. (JP) 1985-02-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110046147-A1 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-RELATED DISEASES HSD17B1, HSD17B11, HSD17B2 NPC1 1544/4885RAB9A 3724/4885SMN1; SMN2 1914/4885
US-20040147572-A1 Novel pyrrolyl-thiazole derivatives CNR1, CNR2, NPY1R NPC1 500/4885RAB9A 1009/4885SMN1; SMN2 3330/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.